CHEBI:28882 - (S)-2-benzoylsuccinyl-CoA

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ChEBI Name (S)-2-benzoylsuccinyl-CoA ChEBI ID CHEBI:28882 ChEBI ASCII Name (S)-2-benzoylsuccinyl-CoA Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-2-benzoylsuccinic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:3042, CHEBI:22734 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C32H44N7O20P3S Net Charge 0 Average Mass 971.710 Monoisotopic Mass 971.15747 InChI InChI=1S/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38-22-27(33)36-15-37-28(22)39/h3-7,15-16,18-19,24-26,30,44-45H,8-14H2,1-2H3,(H,34,40)(H,35,46)(H,41,42)(H,51,52)(H,53,54)(H2,33,36,37)(H2,48,49,50)/t18-,19+,24+,25+,26-,30+/m0/s1 InChIKey SGNPJINSCKFITG-BBJTXHABSA-N SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(O)=O)C(=O)C1=CC=CC=C1 Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is a acyl-CoA (CHEBI:17984) (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) is conjugate acid of (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060) Incoming (S)-2-benzoylsuccinyl-CoA(5−) (CHEBI:189060) is conjugate base of (S)-2-benzoylsuccinyl-CoA (CHEBI:28882) IUPAC Name (9R,20S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-20-benzoyl-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide Synonyms Sources 2-benzoylsuccinoyl-CoA ChEBI 2-benzoylsuccinoyl-coenzyme A ChEBI 2-Benzoylsuccinyl-CoA KEGG COMPOUND 2-benzoylsuccinyl-coenzyme A ChEBI Benzoylsuccinyl-CoA KEGG COMPOUND Manual Xref Database C09820 KEGG COMPOUND View more database links Citations Types Sources 10589736 PubMed citation Europe PMC 11418570 PubMed citation Europe PMC 34601806 PubMed citation Europe PMC Last Modified 13 January 2022